SCHEMBL5873649

SCHEMBL5873649

Nc1ccc2cc(NC=O)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.52
BACE1 P56817 12/20 0.49
NCK1 P16333 1/20 0.49
NCF1 P14598 5/20 0.45
MCHR1 Q99705 1/20 0.42
NOS2 P35228 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28701986 0.83 PLAU (0.50) PLAUBACE1NCK1NCF1MCHR1
SCHEMBL5959990 0.83 NMT1 (0.40) PLAUBACE1
SCHEMBL10133371 0.79 NPC1 (0.52)
SCHEMBL27689981 0.77 ALDH1A1 (0.50) PLAU
SCHEMBL7833601 0.76 NPC1 (0.39) MCHR1
SCHEMBL5873708 0.75 PLAU (0.67) PLAUBACE1NCK1NCF1MCHR1
SCHEMBL24164787 0.75 MEN1 (0.60) PLAU
SCHEMBL12175387 0.74 ALDH1A1 (0.45) PLAU
SCHEMBL4681143 0.73 PLAU (0.57) PLAUBACE1NCK1NCF1NOS2
SCHEMBL10133307 0.72 NPC1 (0.61)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R PLAU 4780/4885BACE1 1078/4885NCK1 1783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.